Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62814
- Core Entity Id
- 109832
- Source Entity Count
- 1
- Preferred Name
- 3-Methyldioxyindole
- Name En
- Pubchem Id
- 151066
- Smiles Canonical
- CC1(C2=CC=CC=C2NC1=O)O
- Molecular Formula
- C9H9NO2
- Molecular Weight
- 163.1700
- Inchikey
- XCHBYBKNFIOSBB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C9H9NO2/c1-9(12)6-4-2-3-5-7(6)10-8(9)11/h2-5,12H,1H3,(H,10,11)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.4000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 49.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-Methyldioxyindole
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-Methyldioxyindole
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21203
Itcmdb Generated
ITX-INGREDIENT-F303DC890D45
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0